CID 165456269

Rac-tert-butyl n-{[(1r,2s,5s)-6-oxabicyclo[3.1.0]hexan-2-yl]methyl}carbamate

Structural Information

Molecular Formula

C₁₁H₁₉NO₃

SMILES

CC(C)(C)OC(=O)NCC1CCC2C1O2

InChI

InChI=1S/C11H19NO3/c1-11(2,3)15-10(13)12-6-7-4-5-8-9(7)14-8/h7-9H,4-6H2,1-3H3,(H,12,13)

InChIKey

YECDILQHQJBHKH-UHFFFAOYSA-N

Compound name

tert-butyl N-(6-oxabicyclo[3.1.0]hexan-2-ylmethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 213.13649 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	214.143766	148.3
[M+Na]+	236.125708	156.4
[M-H]-	212.129214	154.1
[M+NH4]+	231.170313	163.8
[M+K]+	252.099648	155.2
[M+H-H2O]+	196.133750	143.4
[M+HCOO]-	258.134691	167.9
[M+CH3COO]-	272.150341	191.5
[M+Na-2H]-	234.111156	153.8
[M]+	213.13594142	153.3
[M]-	213.13703858	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.